#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4g n GLN 2 N 0.00 0.00 -0.07 -0.67 3.00 -1.26 -2.10 117.38 116.28 1s4g n GLN 2 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 1s4g n GLN 2 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.18 1s4g n GLN 2 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1s4g h GLU 3 N 0.00 0.56 -2.82 -1.09 3.07 -2.04 -3.48 114.58 108.78 1s4g h GLU 3 Ca 0.00 -0.31 0.08 0.00 -0.50 0.00 0.00 59.36 58.62 1s4g h GLU 3 Cb 0.00 0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.89 1s4g h GLU 3 CO 0.00 0.91 0.33 0.45 -1.40 0.00 0.00 179.01 179.30 1s4g s SER 4 N -6.42 -0.15 -1.27 1.42 0.15 -0.89 -5.08 113.70 101.45 1s4g s SER 4 Ca -0.13 -0.71 -0.18 0.00 0.70 0.00 0.00 55.95 55.63 1s4g s SER 4 Cb 0.07 0.69 0.08 0.00 -1.71 0.00 0.00 66.02 65.15 1s4g s SER 4 CO 0.80 -1.31 1.69 0.00 1.20 0.00 0.00 173.24 175.63 1s4g h LYS 6 N 7.67 -0.02 0.00 0.00 1.57 -1.97 -3.47 116.57 120.35 1s4g h LYS 6 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1s4g h LYS 6 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1s4g h LYS 6 CO 1.44 0.71 0.00 0.41 -0.57 0.00 0.00 179.45 181.44 1s4g n GLY 7 N 0.97 -0.42 2.53 3.86 0.00 -1.26 -4.98 105.19 105.89 1s4g n GLY 7 Ca -0.09 0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1s4g n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s4g n ARG 8 N -2.29 3.24 -2.68 1.61 1.74 -1.09 -1.46 116.66 115.73 1s4g n ARG 8 Ca 0.00 -2.38 -0.42 0.00 -0.77 0.00 0.00 57.85 54.28 1s4g n ARG 8 Cb 0.00 -3.03 -0.03 0.00 -1.02 0.00 0.00 32.46 28.38 1s4g n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s4g h THR 10 N 6.28 0.67 -0.00 0.00 1.35 -1.91 -0.12 112.91 119.18 1s4g h THR 10 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.84 1s4g h THR 10 Cb 1.03 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1s4g h THR 10 CO 1.29 0.00 -0.06 -0.33 -0.25 0.00 0.00 175.52 176.17 1s4g h GLU 11 N 0.00 0.00 0.00 4.72 3.07 -1.97 -3.46 114.58 116.94 1s4g h GLU 11 Ca 0.17 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1s4g h GLU 11 Cb 0.75 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 1s4g h GLU 11 CO -0.00 0.06 0.00 0.41 -1.40 0.00 0.00 179.01 178.08 1s4g n GLY 12 N -1.37 0.16 3.72 -3.84 0.00 -0.08 -5.14 105.19 98.64 1s4g n GLY 12 Ca -0.03 0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.95 1s4g n GLY 12 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s4g s PHE 13 N 0.94 3.50 -0.35 1.61 -0.71 -1.06 -4.86 117.98 117.05 1s4g s PHE 13 Ca 0.00 0.90 -0.10 0.00 -1.04 0.00 0.00 56.93 56.69 1s4g s PHE 13 Cb 0.00 -2.58 0.02 0.00 -1.21 0.00 0.00 43.02 39.25 1s4g s PHE 13 CO 0.00 0.14 0.18 -0.80 -1.34 0.00 0.00 175.22 173.40 1s4g s ASN 14 N 0.69 5.65 -0.01 1.98 0.01 -1.24 -0.90 114.94 121.12 1s4g s ASN 14 Ca 0.27 -0.88 -0.03 0.00 -0.71 0.00 0.00 52.86 51.51 1s4g s ASN 14 Cb -0.15 -2.00 -0.00 0.00 0.41 0.00 0.00 41.25 39.50 1s4g s ASN 14 CO 0.11 -0.33 0.06 0.54 -1.51 0.00 0.00 177.10 175.96 1s4g s VAL 15 N 1.56 0.04 -0.38 1.60 0.11 -0.53 -4.91 120.40 117.88 1s4g s VAL 15 Ca 0.02 -0.31 -0.29 0.00 -2.93 0.00 0.00 61.98 58.48 1s4g s VAL 15 Cb -0.19 -0.19 0.02 0.00 -1.53 0.00 0.00 36.38 34.50 1s4g s VAL 15 CO 0.06 -0.17 1.16 -0.62 -3.33 0.00 0.00 175.10 172.21 1s4g s ASP 16 N -0.51 6.73 0.16 3.54 -1.08 -1.26 -2.67 116.67 121.57 1s4g s ASP 16 Ca -0.06 0.84 0.00 0.00 -0.52 0.00 0.00 52.55 52.81 1s4g s ASP 16 Cb -0.04 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 1s4g s ASP 16 CO 0.00 -1.10 0.00 2.29 0.52 0.00 0.00 175.17 176.88 1s4g n LYS 17 N 7.40 1.12 -0.03 4.34 2.85 -1.26 -5.05 118.16 127.53 1s4g n LYS 17 Ca 0.13 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.26 1s4g n LYS 17 Cb 0.48 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.77 1s4g n LYS 17 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1s4g h LYS 18 N 0.00 0.10 -0.96 -1.58 3.64 -1.96 -3.42 116.57 112.40 1s4g h LYS 18 Ca 0.00 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1s4g h LYS 18 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1s4g h LYS 18 CO 0.00 0.56 -0.31 0.00 -2.27 0.00 0.00 179.45 177.43 1s4g n GLN 20 N -2.34 0.00 -2.75 0.00 -0.06 -1.23 -4.24 117.38 106.76 1s4g n GLN 20 Ca -0.02 0.00 -0.05 0.00 -2.00 0.00 0.00 57.00 54.93 1s4g n GLN 20 Cb 0.16 -0.05 0.02 0.00 -4.06 0.00 0.00 30.24 26.31 1s4g n GLN 20 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1s4g s ASP 22 N 0.30 -0.10 0.16 0.00 -4.77 -1.26 -5.01 116.67 105.99 1s4g s ASP 22 Ca 0.30 -0.18 0.00 0.00 -3.30 0.00 0.00 52.55 49.37 1s4g s ASP 22 Cb 0.07 0.24 0.00 0.00 -1.09 0.00 0.00 42.92 42.14 1s4g s ASP 22 CO -0.10 -0.44 0.00 1.21 0.70 0.00 0.00 175.17 176.54 1s4g n GLU 23 N -0.44 -1.08 -0.33 2.11 2.13 -1.26 -2.94 120.64 118.84 1s4g n GLU 23 Ca -0.07 0.80 0.22 0.00 0.66 0.00 0.00 57.16 58.77 1s4g n GLU 23 Cb 0.62 -1.29 0.49 0.00 0.27 0.00 0.00 31.44 31.53 1s4g n GLU 23 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1s4g h LEU 24 N -0.48 0.48 -1.79 4.31 5.85 -1.93 -0.47 115.31 121.27 1s4g h LEU 24 Ca -0.03 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1s4g h LEU 24 Cb 0.47 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1s4g h LEU 24 CO 0.02 0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.21 1s4g n SER 26 N -2.66 0.97 0.20 0.00 7.64 -0.24 -0.37 113.62 119.15 1s4g n SER 26 Ca -0.01 0.04 -0.12 0.00 1.01 0.00 0.00 58.87 59.80 1s4g n SER 26 Cb 0.13 0.21 -0.06 0.00 -1.01 0.00 0.00 64.21 63.48 1s4g n SER 26 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1s4g h TYR 27 N 0.01 -0.53 -2.00 1.43 0.05 -0.68 -3.17 116.97 112.08 1s4g h TYR 27 Ca -0.50 -0.01 -0.50 0.00 0.05 0.00 0.00 58.73 57.76 1s4g h TYR 27 Cb 2.08 0.17 -0.05 0.00 1.01 0.00 0.00 36.73 39.95 1s4g h TYR 27 CO 0.02 -0.22 1.26 -0.47 -1.05 0.00 0.00 178.16 177.70 1s4g s TYR 28 N -4.00 1.82 -0.21 4.88 5.04 0.36 -4.93 117.35 120.31 1s4g s TYR 28 Ca -0.12 0.57 -0.28 0.00 -2.44 0.00 0.00 57.07 54.80 1s4g s TYR 28 Cb 0.01 -4.22 -0.05 0.00 0.35 0.00 0.00 41.96 38.05 1s4g s TYR 28 CO 0.40 -2.23 2.18 -1.14 -1.34 0.00 0.00 175.55 173.42 1s4g s GLN 29 N 6.72 3.18 -0.12 4.97 2.00 -1.20 -4.31 119.66 130.90 1s4g s GLN 29 Ca 0.60 2.02 0.04 0.00 -2.00 0.00 0.00 55.36 56.02 1s4g s GLN 29 Cb -0.11 -4.35 0.14 0.00 0.80 0.00 0.00 33.01 29.48 1s4g s GLN 29 CO 0.18 -2.05 1.01 -1.13 -0.50 0.00 0.00 175.29 172.80 1s4g n SER 30 N 11.44 -0.93 0.00 6.67 3.41 0.49 -4.99 113.62 129.72 1s4g n SER 30 Ca 0.29 -1.71 0.00 0.00 -0.26 0.00 0.00 58.87 57.19 1s4g n SER 30 Cb 0.45 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1s4g n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s4g n THR 33 N 7.30 0.00 -0.22 0.00 -1.04 -1.26 -4.57 114.28 114.49 1s4g n THR 33 Ca 0.22 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.38 1s4g n THR 33 Cb 0.47 0.00 0.45 0.00 -1.82 0.00 0.00 70.33 69.43 1s4g n THR 33 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1s4g h ASP 34 N 0.00 0.50 -1.75 8.00 3.58 -1.96 -3.40 116.42 121.40 1s4g h ASP 34 Ca 0.00 0.03 -0.59 0.00 0.42 0.00 0.00 57.03 56.89 1s4g h ASP 34 Cb 0.00 -0.06 -0.11 0.00 1.72 0.00 0.00 39.33 40.88 1s4g h ASP 34 CO 0.00 0.25 -0.58 -0.31 -2.88 0.00 0.00 179.24 175.72 1s4g s TYR 35 N -5.52 2.55 0.16 0.28 1.51 -0.24 -4.27 117.35 111.81 1s4g s TYR 35 Ca -0.09 -0.55 -0.14 0.00 -1.01 0.00 0.00 57.07 55.28 1s4g s TYR 35 Cb 0.22 -1.71 0.04 0.00 -0.11 0.00 0.00 41.96 40.40 1s4g s TYR 35 CO 0.78 0.39 1.74 1.79 -1.11 0.00 0.00 175.55 179.13 1s4g h THR 36 N 1.70 1.20 0.00 -0.71 1.35 -1.77 -3.42 112.91 111.25 1s4g h THR 36 Ca -0.43 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 1s4g h THR 36 Cb 1.25 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1s4g h THR 36 CO 0.72 0.22 0.00 0.00 -0.25 0.00 0.00 175.52 176.21 1s4g n ALA 37 N -2.31 0.00 -1.86 6.62 0.00 -1.26 -4.75 120.51 116.95 1s4g n ALA 37 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.06 1s4g n ALA 37 Cb 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.54 1s4g n ALA 37 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1s4g s GLU 38 N -1.66 2.79 0.08 0.00 0.41 -1.26 -3.53 118.70 115.54 1s4g s GLU 38 Ca 0.00 1.24 -0.36 0.00 -0.41 0.00 0.00 54.97 55.43 1s4g s GLU 38 Cb 0.00 -4.37 -0.17 0.00 -1.78 0.00 0.00 34.13 27.80 1s4g s GLU 38 CO 0.00 -2.51 1.56 0.00 -0.49 0.00 0.00 175.26 173.82 1s4g s LYS 40 N -5.86 4.21 -0.06 0.00 -2.85 -1.26 -4.85 119.74 109.07 1s4g s LYS 40 Ca -0.18 2.10 -0.28 0.00 -1.00 0.00 0.00 55.97 56.61 1s4g s LYS 40 Cb 0.04 -3.84 -0.03 0.00 -2.06 0.00 0.00 37.83 31.95 1s4g s LYS 40 CO 0.60 -0.77 0.91 -1.25 0.10 0.00 0.00 175.35 174.95 1s4g s PRO 41 N 3.52 4.47 0.00 1.78 0.04 -1.26 -4.98 135.00 138.57 1s4g s PRO 41 Ca 0.69 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1s4g s PRO 41 Cb -0.32 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.73 1s4g s PRO 41 CO 0.27 -0.12 0.00 1.04 0.04 0.00 0.00 177.00 178.24 1s4g n GLN 42 N 4.27 0.00 -2.23 4.56 3.00 -1.26 -4.84 117.38 120.88 1s4g n GLN 42 Ca 0.05 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.61 1s4g n GLN 42 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.74 1s4g n GLN 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1s4g n VAL 43 N -0.09 3.91 -1.68 5.09 0.31 -1.26 -4.97 118.33 119.64 1s4g n VAL 43 Ca 0.00 -3.84 -0.45 0.00 -0.01 0.00 0.00 64.34 60.04 1s4g n VAL 43 Cb 0.00 -2.47 -0.03 0.00 -0.91 0.00 0.00 33.84 30.43 1s4g n VAL 43 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1s4g n THR 44 N 4.78 0.41 0.02 2.52 5.66 -1.26 -4.58 114.28 121.83 1s4g n THR 44 Ca 0.46 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 61.36 1s4g n THR 44 Cb 0.40 -1.57 0.00 0.00 -1.55 0.00 0.00 70.33 67.61 1s4g n THR 44 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1s4g n ARG 45 N 2.87 0.00 0.00 1.09 0.63 -0.28 -5.05 116.66 115.92 1s4g n ARG 45 Ca 0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 1s4g n ARG 45 Cb 0.31 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.22 1s4g n ARG 45 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1s4g n GLY 46 N -1.43 2.24 3.71 5.14 0.00 -0.38 -4.97 105.19 109.51 1s4g n GLY 46 Ca 0.00 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1s4g n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s4g s ASP 47 N 0.00 6.42 0.00 1.61 2.15 -1.26 -3.23 116.67 122.36 1s4g s ASP 47 Ca 0.00 2.80 0.00 0.00 0.43 0.00 0.00 52.55 55.78 1s4g s ASP 47 Cb 0.00 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1s4g s ASP 47 CO 0.00 -0.96 0.00 0.52 -0.17 0.00 0.00 175.17 174.56 1s4g n VAL 48 N 4.22 0.00 -2.77 1.11 0.31 -1.26 -4.53 118.33 115.41 1s4g n VAL 48 Ca 0.16 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.07 1s4g n VAL 48 Cb 0.37 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.27 1s4g n VAL 48 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1s4g s PHE 49 N 0.00 2.87 0.00 3.52 0.08 -1.26 -3.95 117.98 119.23 1s4g s PHE 49 Ca 0.00 -1.15 0.00 0.00 0.12 0.00 0.00 56.93 55.90 1s4g s PHE 49 Cb 0.00 -4.46 0.00 0.00 -0.57 0.00 0.00 43.02 37.99 1s4g s PHE 49 CO 0.00 -1.68 0.00 2.41 -0.10 0.00 0.00 175.22 175.85 1s4g n THR 50 N 6.08 0.00 -1.89 0.64 -1.04 -1.20 -1.13 114.28 115.75 1s4g n THR 50 Ca 0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 1s4g n THR 50 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 1s4g n THR 50 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58